Does Gd@C82 Have an Anomalous Endohedral Structure? Synthesis and Single Crystal X-ray Structure of the Carbene Adduct
Journal of the American Chemical Society2008Vol. 130(39), pp. 12840–12841
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Takeshi Akasaka, Takayoshi Kono, Y. Takematsu, Hidefumi Nikawa, Tsukasa Nakahodo, Takatsugu Wakahara, Midori O. Ishitsuka, Takahiro Tsuchiya, Yutaka Maeda, Michael T. H. Liu, Kenji Yoza, Tatsuhisa Kato, Kazunori Yamamoto, Naomi Mizorogi, Zdeněk Slanina, Shigeru Nagase
Abstract
We report here the results on single crystal X-ray crystallographic analysis of the Gd@C82 carbene adduct (Gd@C82(Ad), Ad = adamantylidene). The Gd atom in Gd@C82(Ad) is located at an off-centered position near a hexagonal ring in the C2v-C82 cage, as found for M@C82 (M = Sc and La) and La@C82(Ad). Theoretical calculation also confirms the position of the Gd atom in the X-ray crystal structure.
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